On Mon, 10 Jan 2000, Jaime Alamo wrote:
> >PS: Has anyone found the error in that Fe3O4 entry yet?
>
> I think, It lacks the sqrt symbol, so ...
>
> [a->(a+b)/sqrt(2), b->(a-b)/sqrt(2)), c->2c]
>
> Also, it yields a negative setting that is less important.
?? I'm thinking of vector a b c, which I thought was implied as otherwise
a-b would be zero for the cubic spinel. So I stick by the 2, sorry about
the negative setting. The Fe(1) z should be 7/16, but is 5/16, a typo in
the paper. Is anyone at ICSD listening to this?
As Alan points out it is pretty clear once you look at the picture, the
problem was that I didn't look at the picture and the distance angle
calculations are not really unreasonable for the first shell at least. I
only mean to suggest that a quality database should be and is more than
just copytyping from journals, and as such could be worth as much as a
journal subscription for example? Maybe more?
Anyway, how and why do I get embroiled in these discussions when I have
work to do? Apologies for filling up all your inboxes.
Jon
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Dept. of Chemistry, Lensfield Road, Cambridge, CB2 1EW
